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Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1 (ABL1)' and Ligand = 'BDBM213496'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM213496
PNG
(US9278981, 88)
Show SMILES OC[C@H]1CCN(C1)c1ncc(cc1-c1ccc(Cl)nc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H20ClF3N4O3/c24-20-6-1-15(10-28-20)19-9-16(11-29-21(19)31-8-7-14(12-31)13-32)22(33)30-17-2-4-18(5-3-17)34-23(25,26)27/h1-6,9-11,14,32H,7-8,12-13H2,(H,30,33)/t14-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<0.130n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...


US Patent US9278981 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HRD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (ABL1)


(Homo sapiens (Human))
BDBM213496
PNG
(US9278981, 88)
Show SMILES OC[C@H]1CCN(C1)c1ncc(cc1-c1ccc(Cl)nc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H20ClF3N4O3/c24-20-6-1-15(10-28-20)19-9-16(11-29-21(19)31-8-7-14(12-31)13-32)22(33)30-17-2-4-18(5-3-17)34-23(25,26)27/h1-6,9-11,14,32H,7-8,12-13H2,(H,30,33)/t14-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 uL of the compound pre-...


US Patent US9278981 (2016)


BindingDB Entry DOI: 10.7270/Q2DV1HRD
More data for this
Ligand-Target Pair